SCHEMBL9719725

SCHEMBL9719725

CC(C(=O)C1(Cl)CC1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
FFAR2 O15552 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ADRB2 P07550 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27536656 0.74 BRD4 (0.52) BRD4FFAR2SMN1; SMN2GAAHPGD
SCHEMBL9577333 0.73 BRD4 (0.47) BRD4FFAR2SMN1; SMN2GAAHPGD
SCHEMBL621292 0.72 BRD4 (0.50) BRD4FFAR2SMN1; SMN2GAAHPGD
SCHEMBL1590331 0.72 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL598280 0.72 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL12225982 0.72 BRD4 (0.61) BRD4FFAR2SMN1; SMN2GAAHPGD
SCHEMBL15695554 0.72 BRD4 (0.61) BRD4FFAR2SMN1; SMN2GAAHPGD
SCHEMBL121108 0.72 PTGS2 (0.61) BRD4FFAR2ADRB2POLBMEN1
SCHEMBL607802 0.71 EPHX1 (0.58) BRD4FFAR2ADRB2HDAC4HDAC7
Hydrochloric Acid SCHEMBL5846545 0.71 PTGS2 (0.59) BRD4FFAR2POLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079374-A Cyclopropyl-oxirane compounds as intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-4983208-A Plant diseases, cereal crops BAYER AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed
EP-0298332-B1 HYDROXY-ALKYLAZOLYL DERIVATIVES BAYER AG (DE) 1990-11-28 EP disclosed
US-4925482-A Fungicidal and plant growth-regulating hydroxyalkyl-azolyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
US-4925865-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0336186-A2 Derivatives of triazolylmethylcyclopropyl-carbinols as material protecting agents BAYER AG (DE) 1989-10-11 EP disclosed
EP-0313783-A1 Antimycotic composition BAYER AG (DE) 1989-05-03 EP disclosed
EP-0298332-A1 Hydroxy-alkylazolyl derivatives BAYER AG (DE) 1989-01-11 EP disclosed